3-Chloro-6-methoxypyridazine - CAS 1722-10-7

Catalog:	BB012801
Product Name:	3-Chloro-6-methoxypyridazine
CAS:	1722-10-7
Synonyms:	3-chloro-6-methoxypyridazine

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Computed Properties

IUPAC Name:	3-chloro-6-methoxypyridazine
Description:	3-Chloro-6-methoxypyridazine (CAS# 1722-10-7) is a useful research chemical.
Molecular Weight:	144.56
Molecular Formula:	C5H5ClN2O
Canonical SMILES:	COC1=NN=C(C=C1)Cl
InChI:	InChI=1S/C5H5ClN2O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3
InChI Key:	XBJLKXOOHLLTPG-UHFFFAOYSA-N
Boiling Point:	284.9 °C at 760 mmHg
Density:	1.292 g/cm³
MDL:	MFCD00006467
LogP:	1.13860

Publication Number	Title	Priority Date
CN-111662235-A	Benzoyl pyridazine derivative and preparation method thereof	20200623
CN-112300132-A	Aryl quinazoline DNA-PK inhibitor	20190730
WO-2020254486-A1	Hydroxyisoxazolines and derivatives thereof	20190621
CN-112028877-A	Alkoxy pyridone compound and preparation method and application thereof	20190604
CN-111909144-A	Quinazoline DNA-PK inhibitor	20190510

PMID	Publication Date	Title	Journal
17580900	20070720	Preparation of functionalized aryl- and heteroarylpyridazines by nickel-catalyzed electrochemical cross-coupling reactions	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	91
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.0090405
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.0090405
Rotatable Bond Count:	1
Topological Polar Surface Area:	35 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9